ergo
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Public Member Functions | |
const RadialGrid & | getRadialGrid () const |
real | radius () const |
Returns "radius" of an atomic grid. More... | |
int | charge () const |
unsigned | getPointCount () const |
AtomicGrid (const AtomicGrid &a) | |
AtomicGrid (const real c[3], const RadialGrid *rg) | |
AtomicGrid (const Atom &atom, const RadialGrid *rg) | |
Public Attributes | |
Vector3D | center |
Private Attributes | |
const RadialGrid * | rGrid |
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References RadialGrid::getCharge(), and rGrid.
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References RadialGrid::getPointCount(), and rGrid.
Referenced by Stream::addAtom().
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References rGrid.
Referenced by Stream::saveAtomGridInBox().
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Returns "radius" of an atomic grid.
It stretches really bit longer than the last grid point.
References RadialGrid::getRadius(), and rGrid.
Referenced by Stream::saveAtomsRecursively().
Vector3D AtomicGrid::center |
Referenced by Stream::saveAtomGridInBox(), and Stream::saveAtomsRecursively().
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Referenced by charge(), getPointCount(), getRadialGrid(), and radius().